3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine

C18H16N2 — CID 118081911

IUPAC3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine
SMILESC/C=C\C=C/c1cn(-c2ccccc2)c2cccnc12
InChIInChI=1S/C18H16N2/c1-2-3-5-9-15-14-20(16-10-6-4-7-11-16)17-12-8-13-19-18(15)17/h2-14H,1H3/b3-2-,9-5-
InChIKeyKOZFAWSQLVPPOE-RWFDEGICSA-N
MW260.34 g/mol
LogP4.61
Rot. Bonds3

About 3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine

3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine (PubChem CID 118081911) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine
PubChem CID118081911
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine
SMILESC/C=C\C=C/c1cn(-c2ccccc2)c2cccnc12
InChIInChI=1S/C18H16N2/c1-2-3-5-9-15-14-20(16-10-6-4-7-11-16)17-12-8-13-19-18(15)17/h2-14H,1H3/b3-2-,9-5-
InChIKeyKOZFAWSQLVPPOE-RWFDEGICSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[2,3-b]pyridine
CID 118081906
1-(1-phenylindol-3-yl)-N-[(Z)-prop-1-enyl]methanimine
CID 118081907
3-[(E)-but-1-enyl]-1-phenylindole
CID 10857799
3-methyl-1-phenylpyrazolo[4,5-b]pyridine
CID 76847108
3-ethenyl-1-[3-[3-[3-ethenyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2-[(Z)-prop-1-enyl]pyrrol-1-yl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]indole
CID 171844963
2-fluoro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-4-(1-phenylpyrrolo[3,2-b]pyridin-3-yl)phenol
CID 175691815
6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine
CID 167089405
4-methyl-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58704078
1-phenylbenzimidazol-4-olate
CID 22090442
23-phenyl-6,9,23-triazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene
CID 140956768
5-methyl-8-phenylpyrido[3,2-b]indole
CID 118000252
9-methyl-11-phenyl-4,9,11-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3(8),4,6,13,15,17-octaene
CID 160976218

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine?
The IUPAC name of 3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine (CID 118081911) is 3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine is C/C=C\C=C/c1cn(-c2ccccc2)c2cccnc12.
What is the InChIKey of 3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine?
The InChIKey is KOZFAWSQLVPPOE-RWFDEGICSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-3-5-9-15-14-20(16-10-6-4-7-11-16)17-12-8-13-19-18(15)17/h2-14H,1H3/b3-2-,9-5-.
What are the key properties of 3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine?
3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine has a molecular weight of 260.34 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118081911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).